CID 26262

1,1-dichloro-2-propoxycyclopropane

Structural Information

Molecular Formula

C₆H₁₀Cl₂O

SMILES

CCCOC1CC1(Cl)Cl

InChI

InChI=1S/C6H10Cl2O/c1-2-3-9-5-4-6(5,7)8/h5H,2-4H2,1H3

InChIKey

WEFTUTWRTKBIPK-UHFFFAOYSA-N

Compound name

1,1-dichloro-2-propoxycyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.01086 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.01814	127.4
[M+Na]+	191.00008	138.4
[M-H]-	167.00358	131.5
[M+NH4]+	186.04468	146.3
[M+K]+	206.97402	135.0
[M+H-H2O]+	151.00812	124.7
[M+HCOO]-	213.00906	142.0
[M+CH3COO]-	227.02471	180.6
[M+Na-2H]-	188.98553	134.3
[M]+	168.01031	134.0
[M]-	168.01141	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.